Ligand
Ligand Name:   ONO-6818
Ligand Type:   non-polymer
Ligand ID:   COVPDB298 PubChem:   10343847
Synonym(s):  
  •   chembl23234
  • unii-1e03us327g
  • 1e03us327g
  • freselestat, (s)-
  • ono-po-707
  • schembl7004023
  • 2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[1-(5-tert-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-acetamide
  • zinc3604283
  • bdbm50095527
  • unii-1cw4rl23vp component ysihyroemjsoas-krwdzbqosa-n
  • (s)-2-(5-amino-6-oxo-2-phenyl-6h-pyrimidin-1-yl)-n-[1-(5-tert-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-acetamidewith 0.2 moles of h20
  • (s)-2-(5-amino-6-oxo-2-phenylpyrimidin-1(6h)-yl)-n-(1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl)acetamide
  • 1(6h)-pyrimidineacetamide, 5-amino-n-((1s)-1-((5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl)carbonyl)-2-methylpropyl)-6-oxo-2-phenyl-
  • 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-n-[(2s)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
  • 2-[(s)-2-[[(2-phenyl-1,6-dihydro-5-amino-6-oxopyrimidine-1-yl)acetyl]amino]-3-methylbutyryl]-5-tert-butyl-1,3,4-oxadiazole
  • 208847-91-0
show 15 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL23234
Canonical SMILES:   CC(C)(C)c1oc(nn1)C(=O)[C@H](C(C)C)NC(=O)Cn2c(=O)c(N)cnc2-c3ccccc3
Standard InChI:   InChI=1S/C23H28N6O4/c1-13(2)17(18(31)20-27-28-22(33-20)23(3,4)5)26-16(30)12-29-19(14-9-7-6-8-10-14)25-11-15(24)21(29)32/h6-11,13,17H,12,24H2,1-5H3,(H,26,30)/t17-/m0/s1
Molecular Formula:   C23H28N6O4 Mol. Weight:   452.2172 logP:   2.1967
HBD:   2 HBA:   9
#Rotatable Bonds:   7 TPSA:   146.0

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Chymotrypsin-like elastase family member 1 P00772 (CELA1_PIG) Sus scrofa (Pig) 1FZZ 681
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